UCSF

ZINC59602872

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.13 0.67 -168.28 8 4 3 73 245.435 6
Hi High (pH 8-9.5) 0.13 -0.5 -81.21 7 4 2 68 244.427 6
Hi High (pH 8-9.5) 0.13 -0.13 -97.18 7 4 2 68 244.427 6
Lo Low (pH 4.5-6) 0.13 2.01 -306.68 9 4 4 77 246.443 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )